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Details

Stereochemistry ACHIRAL
Molecular Formula C42H78O5
Molecular Weight 663.0657
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of TRIMETHYLOLPROPANE DIOLEATE

SMILES

CCCCCCCC\C=C/CCCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCCCCC\C=C/CCCCCCCC

InChI

InChIKey=NKSZWBYBTXAALC-WRBBJXAJSA-N
InChI=1S/C42H78O5/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(44)46-38-42(6-3,37-43)39-47-41(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h19-22,43H,4-18,23-39H2,1-3H3/b21-19-,22-20-

HIDE SMILES / InChI
Molecular Formula C42H78O5
Molecular Weight 663.0657
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:44:38 GMT 2025
Edited
by admin
on Mon Mar 31 22:44:38 GMT 2025
Record UNII
N50538N1SO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRIMETHYLOLPROPANE DIOLEATE
Systematic Name English
J236.056J
Preferred Name English
9-OCTADECENOIC ACID (9Z)-, 2-ETHYL-2-(HYDROXYMETHYL)-1,3-PROPANEDIYL ESTER
Systematic Name English
1,3-PROPANEDIOL, 2-ETHYL-2-(HYDROXYMETHYL)-, DIOLEATE
Systematic Name English
BIS((Z)-9-OCTADECENOIC ACID)2-ETHYL-2-HYDROXYMETHYL-1,3-PROPANEDIYL ESTER
Systematic Name English
9-OCTADECENOIC ACID (Z)-, 2-ETHYL-2-(HYDROXYMETHYL)-1,3-PROPANEDIYL ESTER
Systematic Name English
9-OCTADECENOIC ACID (9Z)-, 1,1'-(2-ETHYL-2-(HYDROXYMETHYL)-1,3-PROPANEDIYL) ESTER
Systematic Name English
9-OCTADECENOIC ACID, 2-ETHYL-2-(HYDROXYMETHYL)-1,3-PROPANEDIYL ESTER, (9Z,9'Z)-
Systematic Name English
2-ETHYL-2-(HYDROXYMETHYL)-1,3-PROPANEDIYL DIOLEATE
Systematic Name English
2-(HYDROXYMETHYL)-2-(((9Z)-OCTADEC-9-ENOYLOXY)METHYL)BUTYL (9Z)-OCTADEC-9-ENOATE
Systematic Name English
OLEIC ACID, 2-ETHYL-2-(HYDROXYMETHYL)TRIMETHYLENE ESTER
Systematic Name English
2-(HYDROXYMETHYL)-2-(((9Z)-9-OCTADECENOYLOXY)METHYL)BUTYL (9Z)-9-OCTADECENOATE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
246-625-4
Created by admin on Mon Mar 31 22:44:38 GMT 2025 , Edited by admin on Mon Mar 31 22:44:38 GMT 2025
PRIMARY
PUBCHEM
6436557
Created by admin on Mon Mar 31 22:44:38 GMT 2025 , Edited by admin on Mon Mar 31 22:44:38 GMT 2025
PRIMARY
FDA UNII
N50538N1SO
Created by admin on Mon Mar 31 22:44:38 GMT 2025 , Edited by admin on Mon Mar 31 22:44:38 GMT 2025
PRIMARY
EPA CompTox
DTXSID5067055
Created by admin on Mon Mar 31 22:44:38 GMT 2025 , Edited by admin on Mon Mar 31 22:44:38 GMT 2025
PRIMARY
CAS
25111-05-1
Created by admin on Mon Mar 31 22:44:38 GMT 2025 , Edited by admin on Mon Mar 31 22:44:38 GMT 2025
PRIMARY
NIH
NCATS
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